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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-May-2017 | Ru-4-32 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -353.38597031; eV | ||||
8-May-2017 | Ru-4-19 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -352.66412855; eV | ||||
8-May-2017 | Cu-3-10 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -172.83557232; eV | ||||
8-May-2017 | Cu-4-39 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -168.81102118; eV | ||||
8-May-2017 | Cu-4-16 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -168.92311017; eV | ||||
8-May-2017 | Cu-5-11 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -165.51110874; eV | ||||
8-May-2017 | Pd-8-04 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -267.28866413; eV | ||||
8-May-2017 | Cu-4-08 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -169.43331237; eV | ||||
8-May-2017 | Cu-5-23 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -165.84776730; eV | ||||
8-May-2017 | Pd-8-05 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -267.37257749; eV |
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Subject
- 429 Big data
- 429 Bronsted Evans Polanyi
- 429 copper
- 429 ethylene glycol
- 429 Methanol
- 429 Palladium
- 429 Poly-alcohols
- 429 Reaction network
- 429 Ruthenium
Program name
- 429 vasp